SCHEMBL9561335

SCHEMBL9561335

CCOc1c(F)cc(C(O)(COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 7/20 0.41
FFAR1 O14842 6/20 0.39
FFAR4 Q5NUL3 2/20 0.39
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9561343 1.00 CETP (0.41) CETPFFAR1FFAR4TSHRHSD17B10
SCHEMBL9560883 0.92 ALDH1A1 (0.39) CETPFFAR1FFAR4MAPK1
SCHEMBL9560888 0.92 ALDH1A1 (0.39) CETPFFAR1FFAR4MAPK1
SCHEMBL9560382 0.90 FFAR1 (0.41) CETPFFAR1FFAR4
SCHEMBL9560412 0.89 LTA4H (0.46) CETPFFAR1FFAR4MAPK1
SCHEMBL9561491 0.88 ALOX5 (0.33) CETPFFAR1
SCHEMBL9561496 0.88 ALOX5 (0.33) CETPFFAR1
SCHEMBL9561537 0.86 CETP (0.39) CETPFFAR1FFAR4MAPK1
SCHEMBL9561530 0.86 CETP (0.39) CETPFFAR1FFAR4MAPK1
SCHEMBL9560797 0.83 FFAR1 (0.38) CETPFFAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
EP-0276558-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-08 EP disclosed
EP-0276558-A2 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-03 EP disclosed